LMST01031359
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    4.6953   -6.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5605   -7.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5605   -8.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953   -8.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302   -8.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302   -7.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256   -6.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2908   -7.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2908   -8.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256   -8.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4255   -5.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2907   -5.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1559   -5.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1559   -6.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0211   -5.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8864   -5.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8865   -6.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5605   -6.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1559   -4.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0211   -4.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8863   -3.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1558   -3.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7513   -4.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6166   -3.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818   -4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470   -3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818   -5.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470   -4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6166   -2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256   -7.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650   -8.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4817   -2.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5366   -4.7363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935   -7.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  2  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  2 18  1  1     0  0
 13 19  1  1     0  0
 15 20  1  0     0  0
 20 21  1  0     0  0
 20 22  1  6     0  0
 21 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
 25 28  1  0     0  0
 24 29  1  6     0  0
  7 30  1  6     0  0
  5 31  2  0     0  0
 29 32  1  0     0  0
 15 33  1  6     0  0
 17 34  1  6     0  0
M  END
> <LM_ID>
LMST01031359

> <COMMON_NAME>
15alpha,25,28-trihydroxyergone

> <SYSTEMATIC_NAME>
15alpha,25,28-trihydroxyergosta-4,6,8(14),22-tetraen-3-one

> <FORMULA>
C28H40O4

> <MASS>
440.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BGERJYPAZOQTPI-JTOOARDWSA-N

> <INCHI>
InChI=1S/C28H40O4/c1-17(6-7-19(16-29)26(2,3)32)23-15-24(31)25-21-9-8-18-14-20(30)10-12-27(18,4)22(21)11-13-28(23,25)5/h6-9,14,17,19,22-24,29,31-32H,10-13,15-16H2,1-5H3/b7-6+/t17-,19-,22+,23-,24+,27+,28-/m1/s1

> <SMILES>
C1CC(=O)C=C2C=CC3=C4[C@@H](O)C[C@]([H])([C@H](C)/C=C/[C@H](CO)C(O)(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33178

> <CITATION>
38856635

$$$$